(2R)-2-(4-methylphenyl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide

C13H14N2OS2 — CID 2232967

IUPAC(2R)-2-(4-methylphenyl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide
SMILESCc1ccc(S[C@H](C)C(=O)Nc2nccs2)cc1
InChIInChI=1S/C13H14N2OS2/c1-9-3-5-11(6-4-9)18-10(2)12(16)15-13-14-7-8-17-13/h3-8,10H,1-2H3,(H,14,15,16)/t10-/m1/s1
InChIKeyWQDMOMHTZNMWCG-SNVBAGLBSA-N
MW278.40 g/mol
LogP3.57
Rot. Bonds4

About (2R)-2-(4-methylphenyl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide

(2R)-2-(4-methylphenyl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 2232967) has the molecular formula C13H14N2OS2 and a molecular weight of 278.40 g/mol. Its IUPAC name is (2R)-2-(4-methylphenyl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-(4-methylphenyl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide
PubChem CID2232967
Molecular FormulaC13H14N2OS2
Molecular Weight278.40 g/mol
Exact Mass278.05
IUPAC Name(2R)-2-(4-methylphenyl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide
SMILESCc1ccc(S[C@H](C)C(=O)Nc2nccs2)cc1
InChIInChI=1S/C13H14N2OS2/c1-9-3-5-11(6-4-9)18-10(2)12(16)15-13-14-7-8-17-13/h3-8,10H,1-2H3,(H,14,15,16)/t10-/m1/s1
InChIKeyWQDMOMHTZNMWCG-SNVBAGLBSA-N
XLogP3.57
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-thiazol-2-yl)propanamide
CID 7394235
2-methyl-N-[4-[1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]sulfanylphenyl]benzamide
CID 19630732
N-[4-[1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]sulfanylphenyl]thiophene-2-carboxamide
CID 19630089
(2R)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)propanamide
CID 94188894
(2R)-2-(4-methylphenyl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 2232086
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)propanamide
CID 2994565
2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)propanamide
CID 17380333
(2S)-2-(4-methylphenyl)sulfanyl-N-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)propanamide
CID 100636584
2-(4-methylphenyl)sulfanyl-N-pyridin-4-ylpropanamide
CID 2978000
(2S)-2-(methylamino)-N-(1,3-thiazol-2-yl)propanamide
CID 59361268
2-(4-methylphenyl)sulfanyl-N-(1H-1,2,4-triazol-5-yl)propanamide
CID 2977752
N-[(Z)-1-[5-(4-methylphenyl)furan-2-yl]-3-oxo-3-[4-[(2R)-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]sulfanylanilino]prop-1-en-2-yl]benzamide
CID 99129677

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-methylphenyl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of (2R)-2-(4-methylphenyl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide (CID 2232967) is (2R)-2-(4-methylphenyl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for (2R)-2-(4-methylphenyl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for (2R)-2-(4-methylphenyl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide is Cc1ccc(S[C@H](C)C(=O)Nc2nccs2)cc1.
What is the InChIKey of (2R)-2-(4-methylphenyl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is WQDMOMHTZNMWCG-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H14N2OS2/c1-9-3-5-11(6-4-9)18-10(2)12(16)15-13-14-7-8-17-13/h3-8,10H,1-2H3,(H,14,15,16)/t10-/m1/s1.
What are the key properties of (2R)-2-(4-methylphenyl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide?
(2R)-2-(4-methylphenyl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 278.40 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-methylphenyl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 2232967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).